Information card for entry 1569526

Structure parameters

• Formula: C83 H82 B4 F16 N29 O3 Pd Pt S
• Calculated formula: C79 H76 B2 F8 N27 O3 Pd Pt S
• Title of publication: Exploiting reduced-symmetry ligands with pyridyl and imidazole donors to construct a second-generation stimuli-responsive heterobimetallic [PdPtL₄]⁴⁺ cage.
• Authors of publication: Pearcy, Aston C.; Lisboa, Lynn S.; Preston, Dan; Page, Nick B.; Lawrence, Tristan; Wright, L. James; Hartinger, Christian G.; Crowley, James D.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 32
• Pages of publication: 8615 - 8623
• a: 13.8621 ± 0.0002 Å
• b: 14.0385 ± 0.0003 Å
• c: 27.2264 ± 0.0006 Å
• α: 79.615 ± 0.002°
• β: 75.366 ± 0.002°
• γ: 89.377 ± 0.002°
• Cell volume: 5039.14 ± 0.18 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1775
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No